N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide

C37H26N4O6 — CID 19828301

IUPACN-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1cccc(N)c1C2=O.Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O
InChIInChI=1S/C21H14N2O3.C16H12N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12;1-8(19)18-12-7-3-5-10-14(12)16(21)9-4-2-6-11(17)13(9)15(10)20/h1-11H,22H2,(H,23,26);2-7H,17H2,1H3,(H,18,19)
InChIKeyBUXRHCLUQCZRQC-UHFFFAOYSA-N
MW622.64 g/mol
LogP5.30
Rot. Bonds3

About N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide

N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide (PubChem CID 19828301) has the molecular formula C37H26N4O6 and a molecular weight of 622.64 g/mol. Its IUPAC name is N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
PubChem CID19828301
Molecular FormulaC37H26N4O6
Molecular Weight622.64 g/mol
Exact Mass622.19
IUPAC NameN-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1cccc(N)c1C2=O.Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O
InChIInChI=1S/C21H14N2O3.C16H12N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12;1-8(19)18-12-7-3-5-10-14(12)16(21)9-4-2-6-11(17)13(9)15(10)20/h1-11H,22H2,(H,23,26);2-7H,17H2,1H3,(H,18,19)
InChIKeyBUXRHCLUQCZRQC-UHFFFAOYSA-N
XLogP5.30
TPSA178.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.64
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
N-(5-amino-9,10-dioxoanthracen-1-yl)-4-chloro-2-hydroxybenzamide
CID 163695918
4-amino-N-(9,10-dioxoanthracen-1-yl)naphthalene-1-carboxamide
CID 70539193
N-(5-amino-9,10-dioxoanthracen-1-yl)cyclohexanecarboxamide
CID 154102442
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide?
The IUPAC name of N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide (CID 19828301) is N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide.
What is the SMILES notation for N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide?
The canonical SMILES for N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide is CC(=O)Nc1cccc2c1C(=O)c1cccc(N)c1C2=O.Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O.
What is the InChIKey of N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide?
The InChIKey is BUXRHCLUQCZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3.C16H12N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12;1-8(19)18-12-7-3-5-10-14(12)16(21)9-4-2-6-11(17)13(9)15(10)20/h1-11H,22H2,(H,23,26);2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide?
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide has a molecular weight of 622.64 g/mol, XLogP of 5.30, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide is sourced from PubChem (CID 19828301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).